Geometry & MOs

Info

ID:	179827
PubChem CID:	76538164
Reduced:	O5C19H26 (1)
Stoich.:	A5B19C26 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-221.47
Dipole, Da:	6.57
IP(EA), eV:	-10.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diazonio-1-[1-(diethylamino)-3-methoxy-3-oxoprop-1-enyl]indol-2-olate

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1CC(C2(CC3C(CC2C1=C)C(=C)C(=O)O3)C)O

DOS

IR

Vibrations